Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2495157 | 0.96 | OPRM1 (0.44) | OPRM1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL2499082 | 0.87 | OPRM1 (0.44) | OPRM1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL6172639 | 0.87 | HRH3 (0.42) | HRH3OPRM1SIGMAR1DRD2HTR2A | |
| SCHEMBL2492237 | 0.85 | DRD2 (0.44) | OPRM1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL2495159 | 0.82 | DRD2 (0.44) | OPRM1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL2494777 | 0.81 | DRD2 (0.44) | OPRM1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL2495304 | 0.76 | OPRM1 (0.48) | OPRM1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL2494236 | 0.72 | OPRM1 (0.48) | OPRM1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL5209190 | 0.72 | ACKR3 (0.46) | OPRM1SIGMAR1DRD2HTR2AHTR2B | |
| SCHEMBL6173420 | 0.71 | ALDH1A1 (0.46) | HRH3OPRM1HTR2AACHEALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1644356-A1 | SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS | Theravance, Inc. (US) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005007645-A1 | SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS | THERAVANCE, INC. (US) | 2005-01-27 | — | — | WO | disclosed |